[gmx-users] glycam force field problem

Hi OliverI'm sorry to reply you so later.And I have some questions after reading your letter.You said that “The fudgeLJ under defaults should be 1.0 for GLYCAM“ and ”When you run grompp check in theoutput that fudge is set to 1.0.” Do you means to setting the fudgeLJ value to 1.0 in em.tpr

Re: [gmx-users] glycam force field problem

Hi Xiaodu, Yes I remember now I had the same problem. Copy the forcefield.itp to your working directory and make the change there. Your working directory is searched first. However as you will be including a protein in your simulation you will need to have fudge set to 0.5 for 1-4 scaling with